To: A Mailing list for WIEN2k users <mailto:wien@zeus.theochem.tuwien.ac.at>>
Subject: Re: [Wien] Choice of magnetization axis in the case with
spin-orbit coupling
You must try different directions in order to find the magnetization
easy axis.
Such a direction is perhaps ex
ling list for WIEN2k users
mailto:wien@zeus.theochem.tuwien.ac.at>>
Date: Tuesday, July 29, 2014 9:38 AM
To: A Mailing list for WIEN2k users
mailto:wien@zeus.theochem.tuwien.ac.at>>
Subject: Re: [Wien] Choice of magnetization axis in the case with spin-orbit
coupling
You must try dif
You must try different directions in order to find the magnetization
easy axis.
Such a direction is perhaps experimentally know in your case. Thus you
can check by considering few crystallographic directions.
Should I always use positive values for (h k l)?
Or should I choose (0 0 1) when I pre
Dear Peter and Wien2k users,
For the spin-orbit case, when we run initso_lapw, we are prompted to
choose the moment direction
>Please select the direction of the moment ( h k l )
I notice that the choices of e.g., (0 0 1) and (0 0 -1) give slight
different values.
In particular, when I
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